2-fluoro-4-methyl-3,6-dihydro-2H-pyran

C6H9FO — CID 143164256

IUPAC2-fluoro-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(F)C1
InChIInChI=1S/C6H9FO/c1-5-2-3-8-6(7)4-5/h2,6H,3-4H2,1H3
InChIKeyJKPSEGJGUGPLFG-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.65
Rot. Bonds

About 2-fluoro-4-methyl-3,6-dihydro-2H-pyran

2-fluoro-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 143164256) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-fluoro-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-fluoro-4-methyl-3,6-dihydro-2H-pyran
PubChem CID143164256
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-fluoro-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(F)C1
InChIInChI=1S/C6H9FO/c1-5-2-3-8-6(7)4-5/h2,6H,3-4H2,1H3
InChIKeyJKPSEGJGUGPLFG-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-fluoro-4-methyl-3,6-dihydro-2H-pyran (CID 143164256) is 2-fluoro-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-fluoro-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-fluoro-4-methyl-3,6-dihydro-2H-pyran is CC1=CCOC(F)C1.
What is the InChIKey of 2-fluoro-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is JKPSEGJGUGPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-5-2-3-8-6(7)4-5/h2,6H,3-4H2,1H3.
What are the key properties of 2-fluoro-4-methyl-3,6-dihydro-2H-pyran?
2-fluoro-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 116.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 143164256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).